Detalhe da pesquisa
1.
Bispericyclic Ambimodal Dimerization of Pentafulvene: The Origin of Asynchronicity and Kinetic Selectivity of the Endo Transition State.
J Org Chem
; 89(10): 6813-6825, 2024 May 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-38661667
2.
Novel route to enhance the thermo-optical performance of bicyclic diene photoswitches for solar thermal batteries.
Beilstein J Org Chem
; 20: 1053-1068, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38774273
3.
Origin of structure and stability of M@C18 (M = Cu, Ag, and Au) complexes with D9h point group.
J Comput Chem
; 44(21): 1786-1794, 2023 Aug 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37114386
4.
Alanine boronic acid functionalized UiO-66 MOF as a nanoreactor for the conversion of CO2 into formic acid.
J Comput Chem
; 44(18): 1624-1633, 2023 Jul 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37042418
5.
Phenothiazine functionalized fulleropyrrolidines: synthesis, charge transport and applications to organic solar cells.
Photochem Photobiol Sci
; 22(2): 379-393, 2023 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-36264479
6.
Structure, stability, and electronic and optical properties of TMDC-coinage metal composites: vertical atomically thin self-assembly of Au clusters.
Phys Chem Chem Phys
; 25(5): 4177-4192, 2023 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36655755
7.
PIO and IBO analysis to unravel the hidden details of the CO2 sequestration mechanism of aromatically tempered N/B-based IFLPs.
Phys Chem Chem Phys
; 25(36): 24809-24818, 2023 Sep 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-37671753
8.
Electronic and photophysical properties of an atomically thin bowl-shaped beryllene encapsulated inside the cavity of [6]cycloparaphenylene (Ben@[6]CPP).
Phys Chem Chem Phys
; 25(34): 23262-23276, 2023 Aug 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-37608746
9.
Unprecedented Activation of CO2 by α-Amino Boronic Acids.
J Phys Chem A
; 127(36): 7429-7442, 2023 Sep 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37656936
10.
Boron based intramolecular heterocyclic frustrated Lewis pairs as organocatalysts for CO2 adsorption and activation.
J Comput Chem
; 43(22): 1474-1483, 2022 Aug 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35733241
11.
Enhanced Selectivity of the Propylene Epoxidation Reaction on a Cu Monolayer Surface via Eley-Rideal Mechanism.
Chemphyschem
; 23(16): e202200334, 2022 Aug 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-35678180
12.
Dissociative Adsorption of H2 S on Li(110) Surface Using Density Functional Theory Calculations and Car-Parrinello Molecular Dynamics Simulations.
Chemphyschem
; 23(3): e202100658, 2022 Feb 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-34822211
13.
Novel Insight into the Molecular Frustration of IFLPs Based on Boron-Functionalized Pyrimidines for CO2 Sequestration.
J Phys Chem A
; 126(46): 8633-8644, 2022 Nov 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-36378011
14.
Excitation-Wavelength-Dependent Light-Induced Electron Transfer and Twisted Intramolecular Charge Transfer in N,N-Bis(4'-tert-butylbiphenyl-4-yl)aniline Functionalized Borondipyrromethenes.
J Phys Chem A
; 124(47): 9738-9750, 2020 Nov 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33175539
15.
Prediction of the [4 + 2]- and [5 + 4]-cycloaddition reactions in zig-zag carbon nanotubes via an ambimodal transition state: density functional theory calculations.
RSC Adv
; 10(19): 11111-11120, 2020 Mar 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35495313
16.
Heterojunction hybrid devices from vapor phase grown MoS2.
Sci Rep
; 4: 5458, 2014 Jun 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-24975741